Crystallography Open Database

Information card for entry 4346705

Preview

Coordinates	4346705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H58 Co3 Mo10 N4 O57
Calculated formula	C32 H28 Co3 Mo10 N4 O57
SMILES	[Mo]123(O[Mo]45([O]6[Mo]7(=O)([O]8[Mo]9(=O)(O[Mo]%10%11([O]%12%13[Mo]%14%15(O[Mo]%16%12(=O)(=O)O[Mo]%12%17(O[Mo]%18%19(=O)([O]%201[Mo]1(=O)(=O)(O%18)[O]35[Co]368([O]2%14[Co]%13%20([O]%12%19)([O]%16%17)[O]%1113)[O]9%10%15)=O)(=O)=O)(=O)=O)(=O)=O)(O7)=O)(=O)O4)(=O)=O)(=O)=O.[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=C([O-])/C=C/c1cc[nH+]cc1.[O-]C(=O)/C=C/c1cc[nH+]cc1.[O-]C(=O)/C=C/c1cc[nH+]cc1.O=C([O-])/C=C/c1cc[nH+]cc1.O.O.O.O.O
Title of publication	Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.
Authors of publication	An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	1
Pages of publication	144 - 153
a	9.9987 ± 0.0008 Å
b	13.5007 ± 0.0009 Å
c	13.6219 ± 0.0009 Å
α	103.265 ± 0.005°
β	94.975 ± 0.006°
γ	104.86 ± 0.005°
Cell volume	1709.1 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0725
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.14
Weighted residual factors for all reflections included in the refinement	0.1575
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
231932 (current)	2019-11-23	cif/ Adding structures of 4346699, 4346700, 4346701, 4346702, 4346703, 4346704, 4346705, 4346706 via cif-deposit CGI script.	4346705.cif